Compound Detail
CHEMBL581146
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Basic Information
| ChEMBL ID | CHEMBL581146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZEZEZHDZJZXEC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
4.78
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.4 | 6.25 | 400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human 6x-His tagged BRAF V600E mutant expressed in Sf9 cells by EL... | 22537109 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FIT... | 23993674 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA... | 22537109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 22537109 | 10.1021/jm3004416 | Serine/threonine-protein kinase B-raf | 2 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 23993674 | 10.1016/j.bmc.2013.08.017 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine